3-methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide

C16H18N2O4S — CID 670722

IUPAC3-methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
SMILESCOc1cccc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C16H18N2O4S/c1-22-14-4-2-3-13(11-14)16(19)18-10-9-12-5-7-15(8-6-12)23(17,20)21/h2-8,11H,9-10H2,1H3,(H,18,19)(H2,17,20,21)
InChIKeyIGTTYCKEAWAOHU-UHFFFAOYSA-N
MW334.40 g/mol
LogP1.32
Rot. Bonds6

About 3-methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide

3-methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide (PubChem CID 670722) has the molecular formula C16H18N2O4S and a molecular weight of 334.40 g/mol. Its IUPAC name is 3-methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
PubChem CID670722
Molecular FormulaC16H18N2O4S
Molecular Weight334.40 g/mol
Exact Mass334.10
IUPAC Name3-methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
SMILESCOc1cccc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C16H18N2O4S/c1-22-14-4-2-3-13(11-14)16(19)18-10-9-12-5-7-15(8-6-12)23(17,20)21/h2-8,11H,9-10H2,1H3,(H,18,19)(H2,17,20,21)
InChIKeyIGTTYCKEAWAOHU-UHFFFAOYSA-N
XLogP1.32
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(111C)methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 56961355
ethyl N-[[4-[2-[(3-methoxybenzoyl)amino]ethyl]phenyl]sulfonylmethyl]carbamate
CID 21389012
ethyl N-[4-[2-[(3-methoxybenzoyl)amino]ethyl]phenyl]sulfonyl-N-methylcarbamate
CID 70622907
3-amino-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 6420184
2-methoxy-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-4-carboxamide
CID 84580650
2-(3-methoxyphenyl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 35040882
3-pyrrol-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 27538652
3-(2-methylpropanoylamino)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 1308646
3,5-dimethyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 2683013
3-methoxy-N-[3-[(3-methoxybenzoyl)amino]propyl]benzamide
CID 2167030
3,5-dimethoxy-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 1011870
N-[3-[4-(methanesulfonamido)phenyl]propyl]-3-methoxybenzamide
CID 110602661

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide?
The IUPAC name of 3-methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide (CID 670722) is 3-methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide?
The canonical SMILES for 3-methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide is COc1cccc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c1.
What is the InChIKey of 3-methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide?
The InChIKey is IGTTYCKEAWAOHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S/c1-22-14-4-2-3-13(11-14)16(19)18-10-9-12-5-7-15(8-6-12)23(17,20)21/h2-8,11H,9-10H2,1H3,(H,18,19)(H2,17,20,21).
What are the key properties of 3-methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide?
3-methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide has a molecular weight of 334.40 g/mol, XLogP of 1.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide is sourced from PubChem (CID 670722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).